3G04

crystal structure of the tsh receptor in complex with a thyroid- stimulating autoantibody

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 77
  • Norm. En. per Res.: -4.7375
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-32.5458	-27.6523	-472.254	-532.4521	180	8	11	18119	1	14	15
A-C	-22.6862	-52.8478	-107.119	-182.653	68	4	1	4425	3	21	18
B-C	-42.9391	-125.5903	-196.258	-364.7874	77	16	1	7483	10	24	21

Interface residues

• A-B: ALA125B, ALA127A, ALA130A, ALA136B, ALA137B, ALA168B, ALA173A, ALA174A, ALA207A, ALA32A, ALA43A, ALA93B, ARG103A, ARG38B, ARG50B, ARG94B, ASN102B, ASN128A, ASN169A, ASN27A, ASN30A, ASN31A, ASN34A, ASN35B, ASN58B, ASP138A, ASP144B, ASP51A, ASP85A, ASP92A, ASP93A, ASP95A, CYS134A, CYS140B, CYS88A, CYS92B, GLN105B, GLN126A, GLN167A, GLN171B, GLN37A, GLN38A, GLN39B, GLN53A, GLN6B, GLN96A, GLU123A, GLU124A, GLU160A, GLU212B, GLU46B, GLU96B, GLY100A, GLY101A, GLY104B, GLY106B, GLY139B, GLY174B, GLY41A, GLY42B, GLY44B, GLY49B, GLY98B, GLY99A, HIS164B, ILE136A, ILE48A, LEU117A, LEU124B, LEU125A, LEU132A, LEU135A, LEU138B, LEU141B, LEU170B, LEU175B, LEU178B, LEU180A, LEU1A, LEU39A, LEU40B, LEU45B, LEU46A, LEU47A, LEU4A, LEU95A, LEU95B, LEU97A, LYS129A, LYS143B, LYS166A, LYS209B, LYS210B, LYS42A, LYS43B, LYS45A, MET48B, MET89B, PHE118A, PHE122B, PHE139A, PHE166B, PHE63B, PHE98A, PRO119A, PRO120A, PRO123B, PRO126B, PRO164A, PRO167B, PRO44A, PRO55A, PRO61B, PRO97B, SER100B, SER114A, SER120B, SER121A, SER122A, SER127B, SER137A, SER165A, SER172B, SER173B, SER175A, SER176A, SER177B, SER179A, SER179B, SER180B, SER56A, SER60B, SER62B, SER90A, SER94A, SER95A, THR100B, THR116A, THR131A, THR161A, THR162A, THR163A, THR165B, THR183B, THR205A, THR2A, THR89A, TRP100B, TRP103B, TRP33B, TRP35A, TRP36B, TRP47B, TRP91A, TYR172A, TYR176B, TYR177A, TYR36A, TYR49A, TYR50A, TYR56B, TYR59B, TYR86A, TYR87A, TYR91B, TYR99B, VAL101B, VAL115A, VAL121B, VAL133A, VAL142B, VAL159A, VAL169B, VAL181B, VAL182B, VAL206A, VAL211B, VAL33A, VAL37B, VAL3A
• A-C: ALA32A, ARG109C, ARG255C, ARG38C, ARG61A, ARG66A, ASN110C, ASN135C, ASN186C, ASN208C, ASN210C, ASN256C, ASN30A, ASN31A, ASP160C, ASP232C, ASP51A, ASP52A, ASP60A, ASP92A, ASP93A, ASP95A, GLN235C, GLN53A, GLU157C, GLU251C, GLU34C, GLU61C, GLY57A, GLY64A, ILE158C, ILE253C, ILE48A, ILE60C, ILE85C, LEU184C, LEU207C, LEU230C, LEU47A, LEU54A, LEU95A, LYS183C, LYS209C, LYS42C, LYS58C, PHE130C, PHE134C, PHE62A, PRO55A, SER234C, SER27A, SER56A, SER59A, SER63A, SER65A, SER84C, SER94A, THR159C, THR236C, THR40C, TRP91A, TYR185C, TYR206C, TYR49A, TYR50A, VAL233C, VAL33A, VAL58A
• B-C: ALA204C, ARG109C, ARG28B, ARG38C, ARG50B, ARG80C, ARG94B, ASN110C, ASN208C, ASN58B, ASP151C, ASP203C, ASP36C, ASP52B, ASP54B, GLN55C, GLU107C, GLU157C, GLU178C, GLU34C, GLU35C, GLU96B, GLY132C, GLY98B, HIS105C, ILE106C, ILE152C, ILE155C, ILE51B, ILE60C, LEU127C, LEU128C, LEU131C, LEU156C, LEU57C, LEU95B, LYS102C, LYS129C, LYS183C, LYS58C, LYS64B, LYS73B, PHE130C, PHE134C, PHE153C, PHE154C, PHE29B, PHE37C, PRO52B, PRO97B, SER100B, SER31B, SER55B, SER79C, SER84C, THR104C, THR150C, THR159C, THR179C, THR181C, THR30B, THR40C, THR53B, THR56C, THR57B, TRP100B, TRP33B, TYR185C, TYR206C, TYR27B, TYR32B, TYR56B, TYR59B, TYR82C, TYR99B, VAL101B, VAL39C